SCHEMBL7300069

SCHEMBL7300069

CC(C)(C)N(C(=O)O)C(CC1CCCCC1)C(O)C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.33
SLC6A3 Q01959 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33
CTSS P25774 2/20 0.31
ATM Q13315 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1859132 0.80 CTSK (0.40) CTSKCTSLCTSBCTSHCTSS
SCHEMBL969488 0.76 CPB2 (0.36) CTSKCTSLCTSBCTSHCTSS
SCHEMBL970649 0.76 CTSK (0.36) CTSKCTSLCTSBCTSHCTSS
SCHEMBL972385 0.76 CTSK (0.36) CTSKCTSLCTSBCTSHCTSS
SCHEMBL1865571 0.76 CTSK (0.40) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6938465 0.75 CTSK (0.43) CTSKCTSLCTSBCTSHCTSS
SCHEMBL970772 0.75 CTSK (0.36) CTSKCTSLCTSBCTSHCTSS
SCHEMBL969953 0.75 CTSK (0.36) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6938463 0.73 ALDH1A1 (0.41) CTSKCTSLCTSBCTSHCTSS
SCHEMBL7309227 0.73 BCHE (0.33) CTSKCTSLCTSBCTSHCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed